Juarez L. F. Da Silva

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Soavtorji

Suhuai WeiBeijing Computational Science Research CenterPreverjeni e-poštni naslov na csrc.ac.cn
Maurício Jeomar PiotrowskiProfessor de Física, Universidade Federal de PelotasPreverjeni e-poštni naslov na ufpel.edu.br
Aron WalshDepartment of Materials, Imperial College LondonPreverjeni e-poštni naslov na imperial.ac.uk
Polina TereshchukResearcher, Faculty of Engineering, Tel-Aviv UniversityPreverjeni e-poštni naslov na mail.tau.ac.il
Matheus Paes LimaProfessor de física, Universidade Federal de São CarlosPreverjeni e-poštni naslov na df.ufscar.br
Marcos G. QuilesAssociate Professor of Computer Science, Federal University of Sao PauloPreverjeni e-poštni naslov na unifesp.br
Anderson ChavesHarvard UniversityPreverjeni e-poštni naslov na g.harvard.edu
Catherine StampflProfessor of Physics, The University of SydneyPreverjeni e-poštni naslov na sydney.edu.au
Vivianne K. Ocampo-RestrepoPostdoc, Technical University of Denmark / Catalysis Theory CenterPreverjeni e-poštni naslov na dtu.dk
Diego Guedes-SobrinhoChemistry Department at Federal University of ParanáPreverjeni e-poštni naslov na ufpr.br
Rafael BesseUniversidade de BrasíliaPreverjeni e-poštni naslov na unb.br
Lucas Garcia VergaResearch Associate, Department of Materials, Imperial College LondonPreverjeni e-poštni naslov na imperial.ac.uk
Tuanan C. LourençoSão Carlos Institute of Chemistry, University of São PauloPreverjeni e-poštni naslov na usp.br
Karla Furtado AndrianiPosdoc at QTNano Group, USP.Preverjeni e-poštni naslov na usp.br
Johnatan MuceliniPhD in Chemistry at University of São PauloPreverjeni e-poštni naslov na usp.br
Joachim SauerProfessor of Chemistry, Humboldt-University, BerlinPreverjeni e-poštni naslov na chemie.hu-berlin.de
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-Gesellschaft and IRIS-Adlershof of HU BerlinPreverjeni e-poštni naslov na fhi-berlin.mpg.de
M. Veronica Ganduglia PirovanoInstitute of Catalysis and Petrochemistry-CSICPreverjeni e-poštni naslov na icp.csic.es
Rafael Luiz Heleno FreireSão Carlos Institute of PhysicsPreverjeni e-poštni naslov na alumni.usp.br
Yohanna SeminovskiITQ-UPVPreverjeni e-poštni naslov na itq.upv.es

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Juarez L. F. Da Silva

University of São Paulo (USP), São Carlos Institute of Chemistry (IQSC), São Carlos, SP, Brazil

Preverjeni e-poštni naslov na iqsc.usp.br - Domača stran

Density Functional Theory Molecular Dynamics Materials Science Physics Chemistry


Naslov Razvrsti po navedbah Razvrsti po letniku Razvrsti po naslovu	Navedeno Navedeno	Leto
Nature of the Band Gap of Revealed by First-Principles Calculations and X-Ray Spectroscopy A Walsh, JLF Da Silva, SH Wei, C Körber, A Klein, LFJ Piper, A DeMasi, ... Physical Review Letters 100 (16), 167402, 2008	822	2008
Hybrid functionals applied to rare-earth oxides: The example of ceria JLF Da Silva, MV Ganduglia-Pirovano, J Sauer, V Bayer, G Kresse Physical Review B 75 (4), 045121, 2007	695	2007
Density-Functional Calculations of the Structure of Near-Surface Oxygen Vacancies and Electron Localization on MV Ganduglia-Pirovano, JLF Da Silva, J Sauer Physical review letters 102 (2), 026101, 2009	588	2009
Origins of band-gap renormalization in degenerately doped semiconductors A Walsh, JLF Da Silva, SH Wei Physical Review B 78 (7), 075211, 2008	377	2008
Converged properties of clean metal surfaces by all-electron first-principles calculations JLF Da Silva, C Stampfl, M Scheffler Surface science 600 (3), 703-715, 2006	336	2006
Theoretical description of carrier mediated magnetism in cobalt doped ZnO A Walsh, JLF Da Silva, SH Wei Physical review letters 100 (25), 256401, 2008	323	2008
Density functional theory investigation of , , and 13-atom metal clusters MJ Piotrowski, P Piquini, JLF Da Silva Physical Review B 81 (15), 155446, 2010	255	2010
Revised ab initio natural band offsets of all group IV, II-VI, and III-V semiconductors YH Li, A Walsh, S Chen, WJ Yin, JH Yang, J Li, JLF Da Silva, XG Gong, ... Applied Physics Letters 94 (21), 2009	235	2009
Insights into the structure of the stable and metastable compounds JLF Da Silva, A Walsh, H Lee Physical Review B 78 (22), 224111, 2008	234	2008
Spin-Orbit Coupling and Ion Displacements in Multiferroic HJ Xiang, SH Wei, MH Whangbo, JLF Da Silva Physical review letters 101 (3), 037209, 2008	234	2008
Optical properties of pseudobinary GeTe, , , , and from ellipsometry and density functional theory JW Park, SH Eom, H Lee, JLF Da Silva, YS Kang, TY Lee, YH Khang Physical Review B 80 (11), 115209, 2009	203	2009
Adsorption of Xe atoms on metal surfaces: New insights from first-principles calculations JLFD Silva, C Stampfl, M Scheffler Physical review letters 90 (6), 066104, 2003	200	2003
Cohesive properties of group-III nitrides: A comparative study of all-electron and pseudopotential calculations using the generalized gradient approximation M Fuchs, JLF Da Silva, C Stampfl, J Neugebauer, M Scheffler Physical Review B 65 (24), 245212, 2002	185	2002
Evolution of the structural, energetic, and electronic properties of the 3d, 4d, and 5d transition-metal clusters (30 TM n systems for n= 2–15): A density functional theory … AS Chaves, MJ Piotrowski, JLF Da Silva Physical chemistry chemical physics 19 (23), 15484-15502, 2017	173	2017
Electronic structure of and Sn-doped by hard x-ray photoemission spectroscopy C Körber, V Krishnakumar, A Klein, G Panaccione, P Torelli, A Walsh, ... Physical Review B 81 (16), 165207, 2010	150	2010
Ethanol and water adsorption on close-packed 3d, 4d, and 5d transition-metal surfaces: A density functional theory investigation with van der Waals correction P Tereshchuk, JLF Da Silva The Journal of Physical Chemistry C 116 (46), 24695-24705, 2012	135	2012
Effect of copassivation of Cl and Cu on CdTe grain boundaries L Zhang, JLF Da Silva, J Li, Y Yan, TA Gessert, SH Wei Physical review letters 101 (15), 155501, 2008	128	2008
Revised basin-hopping Monte Carlo algorithm for structure optimization of clusters and nanoparticles GG Rondina, JLF Da Silva Journal of chemical information and modeling 53 (9), 2282-2298, 2013	126	2013
Effective coordination concept applied for phase change (GeTe) m (Sb2Te3) n compounds JLF Da Silva Journal of Applied Physics 109 (2), 2011	119	2011
The Role of Charge States in the Atomic Structure of Cu_n and Pt_n (n = 2–14 atoms) Clusters: A DFT Investigation AS Chaves, GG Rondina, MJ Piotrowski, P Tereshchuk, JLF Da Silva The Journal of Physical Chemistry A 118 (45), 10813-10821, 2014	118	2014

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